2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole

C24H24N2O3 — CID 17000188

IUPAC2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
SMILESC/C=C/c1ccc(OCCCn2c(-c3ccco3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C24H24N2O3/c1-3-8-18-12-13-21(23(17-18)27-2)28-16-7-14-26-20-10-5-4-9-19(20)25-24(26)22-11-6-15-29-22/h3-6,8-13,15,17H,7,14,16H2,1-2H3/b8-3+
InChIKeyCSUPFTQDLWPVDZ-FPYGCLRLSA-N
MW388.47 g/mol
LogP5.81
Rot. Bonds8

About 2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole

2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole (PubChem CID 17000188) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
PubChem CID17000188
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
SMILESC/C=C/c1ccc(OCCCn2c(-c3ccco3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C24H24N2O3/c1-3-8-18-12-13-21(23(17-18)27-2)28-16-7-14-26-20-10-5-4-9-19(20)25-24(26)22-11-6-15-29-22/h3-6,8-13,15,17H,7,14,16H2,1-2H3/b8-3+
InChIKeyCSUPFTQDLWPVDZ-FPYGCLRLSA-N
XLogP5.81
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
CID 17000212
2-(2,4-dimethylphenyl)-1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazole
CID 16987621
2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
CID 16996695
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-(2-phenylethyl)benzimidazole
CID 16999516
2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 17000191
4-[[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]methyl]morpholine
CID 50744797
2-[(4-chlorophenyl)methyl]-1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazole
CID 16995848
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987459
4-[3-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]propyl]morpholine
CID 18885473
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999294
N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide
CID 17005991
N-[1-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970186

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole?
The IUPAC name of 2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole (CID 17000188) is 2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole.
What is the SMILES notation for 2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole?
The canonical SMILES for 2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole is C/C=C/c1ccc(OCCCn2c(-c3ccco3)nc3ccccc32)c(OC)c1.
What is the InChIKey of 2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole?
The InChIKey is CSUPFTQDLWPVDZ-FPYGCLRLSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-3-8-18-12-13-21(23(17-18)27-2)28-16-7-14-26-20-10-5-4-9-19(20)25-24(26)22-11-6-15-29-22/h3-6,8-13,15,17H,7,14,16H2,1-2H3/b8-3+.
What are the key properties of 2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole?
2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole has a molecular weight of 388.47 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole is sourced from PubChem (CID 17000188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).